Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "333ad12cfa0b18df5748055e15f7d453",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 57.76,
"b": 199.99,
"c": 88.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.482,2.030],
"number_observations_unique": 33176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.030],
"number_observations": 20411,
"number_observations_unique": 4587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.270,2.140],
"number_observations": 28904,
"number_observations_unique": 4543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.430,2.270],
"number_observations": 30827,
"number_observations_unique": 4296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.620,2.430],
"number_observations": 28762,
"number_observations_unique": 4014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.870,2.620],
"number_observations": 26304,
"number_observations_unique": 3698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.210,2.870],
"number_observations": 23670,
"number_observations_unique": 3363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.710,3.210],
"number_observations": 20797,
"number_observations_unique": 2992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.540,3.710],
"number_observations": 17294,
"number_observations_unique": 2548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [6.420,4.540],
"number_observations": 12134,
"number_observations_unique": 1996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [34.482,6.420],
"number_observations": 7243,
"number_observations_unique": 1139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}